4-methoxypent-1-en-3-amine

C6H13NO — CID 79609957

IUPAC4-methoxypent-1-en-3-amine
SMILESC=CC(N)C(C)OC
InChIInChI=1S/C6H13NO/c1-4-6(7)5(2)8-3/h4-6H,1,7H2,2-3H3
InChIKeyNCKZCACMVVWGNQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.53
Rot. Bonds3

About 4-methoxypent-1-en-3-amine

4-methoxypent-1-en-3-amine (PubChem CID 79609957) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-methoxypent-1-en-3-amine.

Molecular Properties

Compound Name4-methoxypent-1-en-3-amine
PubChem CID79609957
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-methoxypent-1-en-3-amine
SMILESC=CC(N)C(C)OC
InChIInChI=1S/C6H13NO/c1-4-6(7)5(2)8-3/h4-6H,1,7H2,2-3H3
InChIKeyNCKZCACMVVWGNQ-UHFFFAOYSA-N
XLogP0.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypent-1-en-3-amine?
The IUPAC name of 4-methoxypent-1-en-3-amine (CID 79609957) is 4-methoxypent-1-en-3-amine.
What is the SMILES notation for 4-methoxypent-1-en-3-amine?
The canonical SMILES for 4-methoxypent-1-en-3-amine is C=CC(N)C(C)OC.
What is the InChIKey of 4-methoxypent-1-en-3-amine?
The InChIKey is NCKZCACMVVWGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(7)5(2)8-3/h4-6H,1,7H2,2-3H3.
What are the key properties of 4-methoxypent-1-en-3-amine?
4-methoxypent-1-en-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-1-en-3-amine is sourced from PubChem (CID 79609957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).